9F2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C17 | sing | 1.38Å | 1.35Å | |
| C17 | N8 | doub | 1.30Å | 1.31Å | Aromatic |
| C17 | S3 | sing | 1.76Å | 1.74Å | Aromatic |
| N8 | C15 | sing | 1.33Å | 1.38Å | Aromatic |
| S3 | C16 | sing | 1.76Å | 1.72Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.35Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.47Å | |
| N5 | C11 | sing | 1.46Å | 1.45Å | |
| N5 | C12 | sing | 1.35Å | 1.35Å | |
| O3 | C10 | doub | 1.21Å | 1.21Å | |
| C14 | O5 | sing | 1.43Å | 1.43Å | |
| C13 | N6 | doub | 1.30Å | 1.29Å | |
| C13 | C12 | sing | 1.48Å | 1.51Å | |
| C11 | C10 | sing | 1.51Å | 1.55Å | |
| C11 | C1 | sing | 1.52Å | 1.53Å | |
| N6 | O5 | sing | 1.42Å | 1.41Å | |
| C12 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | N4 | sing | 1.33Å | 1.41Å | |
| O6 | C18 | doub | 1.21Å | 1.25Å | |
| C1 | N4 | sing | 1.49Å | 1.38Å | |
| C1 | S1 | sing | 1.82Å | 1.72Å | |
| N4 | C9 | sing | 1.40Å | 1.41Å | |
| C18 | C9 | sing | 1.47Å | 1.53Å | |
| C18 | O7 | sing | 1.35Å | 1.25Å | |
| C9 | C3 | doub | 1.33Å | 1.35Å | |
| S1 | C2 | sing | 1.82Å | 1.80Å | |
| C3 | C2 | sing | 1.49Å | 1.52Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | S2 | sing | 1.81Å | 1.83Å | |
| S2 | C5 | sing | 1.71Å | 1.75Å | |
| C5 | N1 | doub | 1.32Å | 1.30Å | |
| C5 | N3 | sing | 1.36Å | 1.37Å | |
| N1 | C6 | sing | 1.33Å | 1.38Å | |
| C8 | N3 | sing | 1.46Å | 1.47Å | |
| N3 | N2 | sing | 1.40Å | 1.42Å | |
| C6 | O1 | doub | 1.22Å | 1.24Å | |
| C6 | C7 | sing | 1.50Å | 1.38Å | |
| N2 | C7 | sing | 1.35Å | 1.38Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| N7 | H22 | sing | 0.97Å | 1.00Å | |
| O7 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C17 | N8 | 124.8° | 125.3° |
| N7 | C17 | S3 | 121.2° | 125.2° |
| C17 | N7 | H21 | 109.5° | 120.0° |
| C17 | N7 | H22 | 109.5° | 120.0° |
| N8 | C17 | S3 | 114.0° | 109.5° |
| C17 | N8 | C15 | 109.6° | 116.9° |
| C17 | S3 | C16 | 88.7° | 90.1° |
| N8 | C15 | C16 | 115.4° | 115.1° |
| N8 | C15 | C13 | 119.3° | 122.4° |
| S3 | C16 | C15 | 110.1° | 108.3° |
| S3 | C16 | H18 | 124.9° | 125.9° |
| C16 | C15 | C13 | 125.3° | 122.4° |
| C15 | C16 | H18 | 125.0° | 125.8° |
| C15 | C13 | N6 | 120.6° | 120.0° |
| C15 | C13 | C12 | 115.6° | 120.0° |
| C11 | N5 | C12 | 124.9° | 120.0° |
| N5 | C11 | C10 | 124.0° | 114.4° |
| N5 | C11 | C1 | 114.3° | 114.4° |
| N5 | C11 | H12 | 112.0° | 113.4° |
| C11 | N5 | H13 | 117.6° | 120.0° |
| N5 | C12 | C13 | 119.0° | 120.0° |
| N5 | C12 | O4 | 123.3° | 120.0° |
| C12 | N5 | H13 | 117.6° | 120.0° |
| O3 | C10 | C11 | 136.2° | 132.0° |
| O3 | C10 | N4 | 132.8° | 132.0° |
| C14 | O5 | N6 | 110.3° | 114.0° |
| O5 | C14 | H14 | 109.5° | 109.5° |
| O5 | C14 | H15 | 109.5° | 109.5° |
| O5 | C14 | H16 | 109.5° | 109.5° |
| N6 | C13 | C12 | 123.2° | 120.0° |
| C13 | N6 | O5 | 112.1° | 120.0° |
| C13 | C12 | O4 | 117.7° | 120.1° |
| C10 | C11 | C1 | 81.5° | 82.5° |
| C11 | C10 | N4 | 91.0° | 96.0° |
| C10 | C11 | H12 | 110.5° | 114.4° |
| C11 | C1 | N4 | 92.9° | 89.3° |
| C11 | C1 | S1 | 140.5° | 115.5° |
| C11 | C1 | H1 | 90.9° | 115.0° |
| C1 | C11 | H12 | 110.8° | 114.4° |
| C10 | N4 | C1 | 92.4° | 90.2° |
| C10 | N4 | C9 | 142.2° | 141.9° |
| O6 | C18 | C9 | 117.9° | 120.0° |
| O6 | C18 | O7 | 124.3° | 120.0° |
| N4 | C1 | S1 | 126.5° | 106.0° |
| C1 | N4 | C9 | 125.4° | 127.4° |
| N4 | C1 | H1 | 91.0° | 114.7° |
| C1 | S1 | C2 | 98.7° | 100.7° |
| S1 | C1 | H1 | 90.8° | 113.7° |
| N4 | C9 | C18 | 115.0° | 120.1° |
| N4 | C9 | C3 | 117.9° | 119.9° |
| C9 | C18 | O7 | 117.8° | 120.0° |
| C18 | C9 | C3 | 127.0° | 120.0° |
| C18 | O7 | H26 | 109.5° | 117.0° |
| C9 | C3 | C2 | 123.9° | 128.1° |
| C9 | C3 | C4 | 126.6° | 115.9° |
| S1 | C2 | C3 | 115.9° | 112.2° |
| S1 | C2 | H2 | 107.9° | 108.9° |
| S1 | C2 | H3 | 107.8° | 109.0° |
| C2 | C3 | C4 | 109.5° | 115.9° |
| C3 | C2 | H2 | 107.8° | 108.9° |
| C3 | C2 | H3 | 107.9° | 108.8° |
| C3 | C4 | S2 | 111.9° | 109.5° |
| C3 | C4 | H5 | 108.9° | 109.5° |
| C3 | C4 | H6 | 108.9° | 109.5° |
| C4 | S2 | C5 | 104.9° | 100.0° |
| S2 | C4 | H5 | 108.8° | 109.5° |
| S2 | C4 | H6 | 108.8° | 109.5° |
| S2 | C5 | N1 | 120.8° | 118.9° |
| S2 | C5 | N3 | 117.8° | 118.9° |
| N1 | C5 | N3 | 121.4° | 122.1° |
| C5 | N1 | C6 | 120.5° | 121.0° |
| C5 | N3 | C8 | 123.7° | 119.6° |
| C5 | N3 | N2 | 119.1° | 120.8° |
| N1 | C6 | O1 | 116.3° | 120.4° |
| N1 | C6 | C7 | 121.7° | 119.1° |
| C8 | N3 | N2 | 117.1° | 119.6° |
| N3 | C8 | H8 | 109.5° | 109.5° |
| N3 | C8 | H9 | 109.5° | 109.5° |
| N3 | C8 | H10 | 109.5° | 109.5° |
| N3 | N2 | C7 | 119.3° | 118.8° |
| N3 | N2 | H7 | 120.3° | 120.6° |
| O1 | C6 | C7 | 122.0° | 120.5° |
| C6 | C7 | N2 | 117.9° | 118.1° |
| C6 | C7 | O2 | 122.3° | 121.0° |
| N2 | C7 | O2 | 119.8° | 120.9° |
| C7 | N2 | H7 | 120.4° | 120.6° |
| H2 | C2 | H3 | 109.5° | 109.0° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| H8 | C8 | H9 | 109.4° | 109.4° |
| H8 | C8 | H10 | 109.4° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H21 | N7 | H22 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C17 | N8 | S3 | 179.6° | 179.6° |
| N7 | C17 | N8 | C15 | 164.7° | 180.0° |
| N7 | C17 | S3 | C16 | 170.9° | 179.8° |
| C17 | N7 | H21 | H22 | 120.0° | 179.9° |
| N8 | C17 | S3 | C16 | 8.7° | 0.2° |
| C17 | N8 | C15 | C16 | 15.6° | 0.5° |
| C17 | N8 | C15 | C13 | 164.9° | 179.9° |
| N8 | C17 | N7 | H21 | 0.0° | 0.1° |
| N8 | C17 | N7 | H22 | 120.0° | 180.0° |
| S3 | C17 | N8 | C15 | 15.0° | 0.4° |
| C17 | S3 | C16 | C15 | 0.4° | 0.1° |
| C17 | S3 | C16 | H18 | 179.6° | 179.9° |
| S3 | C17 | N7 | H21 | 179.6° | 179.5° |
| S3 | C17 | N7 | H22 | 60.4° | 0.5° |
| N8 | C15 | C16 | S3 | 9.1° | 0.3° |
| N8 | C15 | C16 | C13 | 179.5° | 179.6° |
| N8 | C15 | C13 | N6 | 121.9° | 168.0° |
| N8 | C15 | C13 | C12 | 48.9° | 12.0° |
| N8 | C15 | C16 | H18 | 170.9° | 179.8° |
| S3 | C16 | C15 | H18 | 180.0° | 179.9° |
| S3 | C16 | C15 | C13 | 171.5° | 180.0° |
| C16 | C15 | C13 | N6 | 58.7° | 11.6° |
| C16 | C15 | C13 | C12 | 130.5° | 168.4° |
| C15 | C13 | C12 | N5 | 122.3° | 179.9° |
| C15 | C13 | N6 | C12 | 170.1° | 180.0° |
| C15 | C13 | N6 | O5 | 52.9° | 6.6° |
| C15 | C13 | C12 | O4 | 57.3° | 0.0° |
| C13 | C15 | C16 | H18 | 8.5° | 0.2° |
| C11 | N5 | C12 | H13 | 180.0° | 180.0° |
| N5 | C11 | C10 | O3 | 54.1° | 77.8° |
| C11 | N5 | C12 | C13 | 167.4° | 180.0° |
| N5 | C11 | C10 | C1 | 113.7° | 113.4° |
| N5 | C11 | C10 | H12 | 137.3° | 133.2° |
| N5 | C11 | C1 | H12 | 127.6° | 133.2° |
| C11 | N5 | C12 | O4 | 12.9° | 0.0° |
| N5 | C11 | C10 | N4 | 124.3° | 102.2° |
| N5 | C11 | C1 | N4 | 134.5° | 103.5° |
| N5 | C11 | C1 | S1 | 42.0° | 4.0° |
| N5 | C11 | C1 | H1 | 134.4° | 139.5° |
| N5 | C12 | C13 | N6 | 48.2° | 0.0° |
| N5 | C12 | C13 | O4 | 179.7° | 180.0° |
| C12 | N5 | C11 | C10 | 35.3° | 104.5° |
| C12 | N5 | C11 | C1 | 61.0° | 162.7° |
| C12 | N5 | C11 | H12 | 172.0° | 29.1° |
| O3 | C10 | C11 | N4 | 178.5° | 180.0° |
| O3 | C10 | C11 | C1 | 167.8° | 168.8° |
| O3 | C10 | N4 | C1 | 166.8° | 168.7° |
| O3 | C10 | N4 | C9 | 13.0° | 20.4° |
| O3 | C10 | C11 | H12 | 83.1° | 55.4° |
| C14 | O5 | N6 | C13 | 116.7° | 180.0° |
| O5 | C14 | H14 | H15 | 120.0° | 120.0° |
| O5 | C14 | H14 | H16 | 120.0° | 120.0° |
| O5 | C14 | H15 | H16 | 120.0° | 120.0° |
| N6 | C13 | C12 | O4 | 132.1° | 180.0° |
| C12 | C13 | N6 | O5 | 137.0° | 173.4° |
| C13 | C12 | N5 | H13 | 12.6° | 0.0° |
| C10 | C11 | C1 | H12 | 108.8° | 113.4° |
| C10 | C11 | C1 | N4 | 10.9° | 10.0° |
| C10 | C11 | C1 | S1 | 165.6° | 117.4° |
| C11 | C10 | N4 | C9 | 168.4° | 159.5° |
| C10 | C11 | C1 | H1 | 102.0° | 107.1° |
| C10 | C11 | N5 | H13 | 144.7° | 75.5° |
| C11 | C1 | N4 | S1 | 177.3° | 116.4° |
| C11 | C1 | N4 | H1 | 91.0° | 117.3° |
| C11 | C1 | S1 | H1 | 92.4° | 136.1° |
| C11 | C1 | N4 | C9 | 168.2° | 161.7° |
| C11 | C1 | S1 | C2 | 170.4° | 148.7° |
| C1 | C11 | N5 | H13 | 119.0° | 17.3° |
| N6 | O5 | C14 | H14 | 180.0° | 179.9° |
| N6 | O5 | C14 | H15 | 60.0° | 60.0° |
| N6 | O5 | C14 | H16 | 60.0° | 60.0° |
| O4 | C12 | N5 | H13 | 167.1° | 180.0° |
| C10 | N4 | C1 | C9 | 179.9° | 173.0° |
| C10 | N4 | C1 | S1 | 165.3° | 127.7° |
| C10 | N4 | C9 | C18 | 8.7° | 28.8° |
| C10 | N4 | C9 | C3 | 171.2° | 151.3° |
| C10 | N4 | C1 | H1 | 102.9° | 106.1° |
| N4 | C10 | C11 | H12 | 98.4° | 124.7° |
| O6 | C18 | C9 | N4 | 30.0° | 71.8° |
| O6 | C18 | C9 | O7 | 179.2° | 180.0° |
| O6 | C18 | C9 | C3 | 150.1° | 108.1° |
| O6 | C18 | O7 | H26 | 0.0° | 0.0° |
| N4 | C1 | S1 | H1 | 91.9° | 126.9° |
| C1 | N4 | C9 | C18 | 171.6° | 162.6° |
| C1 | N4 | C9 | C3 | 8.6° | 17.3° |
| N4 | C1 | S1 | C2 | 5.3° | 51.7° |
| N4 | C1 | C11 | H12 | 97.9° | 123.4° |
| S1 | C1 | N4 | C9 | 14.5° | 45.3° |
| C1 | S1 | C2 | C3 | 29.0° | 43.2° |
| C1 | S1 | C2 | H2 | 149.9° | 77.4° |
| C1 | S1 | C2 | H3 | 91.9° | 163.8° |
| S1 | C1 | C11 | H12 | 85.6° | 129.2° |
| N4 | C9 | C18 | C3 | 179.9° | 179.9° |
| N4 | C9 | C18 | O7 | 149.2° | 108.1° |
| N4 | C9 | C3 | C2 | 21.4° | 2.4° |
| N4 | C9 | C3 | C4 | 161.6° | 177.6° |
| C9 | N4 | C1 | H1 | 77.3° | 81.0° |
| C18 | C9 | C3 | C2 | 158.5° | 177.6° |
| C18 | C9 | C3 | C4 | 18.5° | 2.5° |
| C9 | C18 | O7 | H26 | 179.2° | 180.0° |
| O7 | C18 | C9 | C3 | 30.7° | 71.9° |
| C9 | C3 | C2 | S1 | 41.9° | 21.2° |
| C9 | C3 | C2 | C4 | 177.4° | 180.0° |
| C9 | C3 | C4 | S2 | 107.3° | 103.3° |
| C9 | C3 | C2 | H2 | 162.8° | 99.5° |
| C9 | C3 | C2 | H3 | 79.0° | 141.8° |
| C9 | C3 | C4 | H5 | 13.0° | 136.7° |
| C9 | C3 | C4 | H6 | 132.3° | 16.8° |
| S1 | C2 | C3 | H2 | 120.9° | 120.7° |
| S1 | C2 | C3 | H3 | 120.9° | 120.7° |
| S1 | C2 | C3 | C4 | 140.7° | 158.8° |
| C2 | S1 | C1 | H1 | 97.2° | 75.2° |
| S1 | C2 | H2 | H3 | 117.1° | 118.7° |
| C2 | C3 | C4 | S2 | 70.0° | 76.8° |
| C3 | C2 | H2 | H3 | 117.1° | 118.6° |
| C2 | C3 | C4 | H5 | 169.6° | 43.2° |
| C2 | C3 | C4 | H6 | 50.4° | 163.2° |
| C3 | C4 | S2 | H5 | 120.4° | 120.0° |
| C3 | C4 | S2 | H6 | 120.4° | 120.0° |
| C3 | C4 | S2 | C5 | 126.9° | 180.0° |
| C4 | C3 | C2 | H2 | 19.7° | 80.5° |
| C4 | C3 | C2 | H3 | 98.4° | 38.1° |
| C3 | C4 | H5 | H6 | 118.9° | 120.0° |
| C4 | S2 | C5 | N1 | 42.8° | 0.0° |
| C4 | S2 | C5 | N3 | 138.9° | 179.7° |
| S2 | C4 | H5 | H6 | 118.8° | 120.0° |
| S2 | C5 | N1 | N3 | 178.2° | 179.7° |
| S2 | C5 | N1 | C6 | 179.0° | 180.0° |
| S2 | C5 | N3 | C8 | 1.5° | 0.0° |
| S2 | C5 | N3 | N2 | 178.8° | 179.8° |
| C5 | S2 | C4 | H5 | 112.7° | 60.0° |
| C5 | S2 | C4 | H6 | 6.5° | 60.0° |
| N1 | C5 | N3 | C8 | 179.7° | 179.8° |
| N1 | C5 | N3 | N2 | 0.6° | 0.5° |
| C5 | N1 | C6 | O1 | 179.8° | 180.0° |
| C5 | N1 | C6 | C7 | 0.5° | 0.0° |
| N3 | C5 | N1 | C6 | 0.8° | 0.3° |
| C5 | N3 | C8 | N2 | 179.7° | 179.8° |
| C5 | N3 | N2 | C7 | 0.2° | 0.5° |
| C5 | N3 | N2 | H7 | 179.8° | 179.7° |
| C5 | N3 | C8 | H8 | 180.0° | 90.0° |
| C5 | N3 | C8 | H9 | 60.0° | 150.0° |
| C5 | N3 | C8 | H10 | 60.0° | 30.0° |
| N1 | C6 | O1 | C7 | 179.2° | 179.9° |
| N1 | C6 | C7 | N2 | 0.1° | 0.0° |
| N1 | C6 | C7 | O2 | 179.9° | 180.0° |
| C8 | N3 | N2 | C7 | 179.9° | 179.8° |
| C8 | N3 | N2 | H7 | 0.1° | 0.1° |
| N3 | C8 | H8 | H9 | 120.0° | 120.0° |
| N3 | C8 | H8 | H10 | 120.0° | 120.0° |
| N3 | C8 | H9 | H10 | 120.0° | 120.0° |
| N3 | N2 | C7 | C6 | 0.0° | 0.2° |
| N3 | N2 | C7 | H7 | 180.0° | 179.9° |
| N3 | N2 | C7 | O2 | 179.8° | 179.8° |
| N2 | N3 | C8 | H8 | 0.3° | 89.7° |
| N2 | N3 | C8 | H9 | 119.7° | 30.2° |
| N2 | N3 | C8 | H10 | 120.3° | 150.2° |
| O1 | C6 | C7 | N2 | 179.3° | 180.0° |
| O1 | C6 | C7 | O2 | 0.9° | 0.1° |
| C6 | C7 | N2 | O2 | 179.8° | 180.0° |
| C6 | C7 | N2 | H7 | 179.9° | 179.9° |
| O2 | C7 | N2 | H7 | 0.3° | 0.1° |
| H1 | C1 | C11 | H12 | 6.8° | 6.3° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| H12 | C11 | N5 | H13 | 7.9° | 150.9° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
